4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde

C16H19N5O2 — CID 166458219

IUPAC4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde
SMILESCNc1nnc(-c2ccccc2O)cc1N1CCN(C=O)CC1
InChIInChI=1S/C16H19N5O2/c1-17-16-14(21-8-6-20(11-22)7-9-21)10-13(18-19-16)12-4-2-3-5-15(12)23/h2-5,10-11,23H,6-9H2,1H3,(H,17,19)
InChIKeyZPTJQJYPJFMRDG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.17
Rot. Bonds4

About 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde

4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde (PubChem CID 166458219) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde
PubChem CID166458219
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde
SMILESCNc1nnc(-c2ccccc2O)cc1N1CCN(C=O)CC1
InChIInChI=1S/C16H19N5O2/c1-17-16-14(21-8-6-20(11-22)7-9-21)10-13(18-19-16)12-4-2-3-5-15(12)23/h2-5,10-11,23H,6-9H2,1H3,(H,17,19)
InChIKeyZPTJQJYPJFMRDG-UHFFFAOYSA-N
XLogP1.17
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]benzaldehyde
CID 155390949
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
tert-butyl 6-[4-[2-[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]piperazin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166459660
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
2-[3-[(2R)-1-[3-[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazin-1-yl]pyrrolidin-1-yl]propan-2-yl]oxy-1,2-oxazol-5-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 166965895
2-[3-[1-[3-[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazin-1-yl]pyrrolidin-1-yl]propan-2-yloxy]-1,2-oxazol-5-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 166888877
2-[3-[2-[3-[4-[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazin-1-yl]piperidin-1-yl]pyrrolidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 174171174
4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide
CID 171638706

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde (CID 166458219) is 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde is CNc1nnc(-c2ccccc2O)cc1N1CCN(C=O)CC1.
What is the InChIKey of 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde?
The InChIKey is ZPTJQJYPJFMRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-17-16-14(21-8-6-20(11-22)7-9-21)10-13(18-19-16)12-4-2-3-5-15(12)23/h2-5,10-11,23H,6-9H2,1H3,(H,17,19).
What are the key properties of 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde?
4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde has a molecular weight of 313.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 166458219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).